4-(2,3-difluoroanilino)quinoline-3-carbonitrile

C16H9F2N3 — CID 61077022

IUPAC4-(2,3-difluoroanilino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1Nc1cccc(F)c1F
InChIInChI=1S/C16H9F2N3/c17-12-5-3-7-14(15(12)18)21-16-10(8-19)9-20-13-6-2-1-4-11(13)16/h1-7,9H,(H,20,21)
InChIKeyLTVSWRWDYPBEQV-UHFFFAOYSA-N
MW281.27 g/mol
LogP4.13
Rot. Bonds2

About 4-(2,3-difluoroanilino)quinoline-3-carbonitrile

4-(2,3-difluoroanilino)quinoline-3-carbonitrile (PubChem CID 61077022) has the molecular formula C16H9F2N3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-(2,3-difluoroanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2,3-difluoroanilino)quinoline-3-carbonitrile
PubChem CID61077022
Molecular FormulaC16H9F2N3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name4-(2,3-difluoroanilino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1Nc1cccc(F)c1F
InChIInChI=1S/C16H9F2N3/c17-12-5-3-7-14(15(12)18)21-16-10(8-19)9-20-13-6-2-1-4-11(13)16/h1-7,9H,(H,20,21)
InChIKeyLTVSWRWDYPBEQV-UHFFFAOYSA-N
XLogP4.13
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 43669106
4-(5-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 43669136
4-(2-methylanilino)quinoline-3-carbonitrile
CID 10015424
4-(2-bromo-5-fluoroanilino)quinoline-3-carbonitrile
CID 107635350
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-(4-chloro-2-methylanilino)quinoline-3-carbonitrile
CID 43669095
4-(3-fluoro-4-methylanilino)quinoline-3-carbonitrile
CID 43669035
4-(4-methylsulfanylanilino)quinoline-3-carbonitrile
CID 43668938
4-(2-bromo-4-methylanilino)quinoline-3-carbonitrile
CID 43668917
4-(2-chloro-5-methylanilino)quinoline-3-carbonitrile
CID 107635172
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
4-(4-ethoxyanilino)quinoline-3-carbonitrile
CID 50768656

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluoroanilino)quinoline-3-carbonitrile?
The IUPAC name of 4-(2,3-difluoroanilino)quinoline-3-carbonitrile (CID 61077022) is 4-(2,3-difluoroanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(2,3-difluoroanilino)quinoline-3-carbonitrile?
The canonical SMILES for 4-(2,3-difluoroanilino)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1Nc1cccc(F)c1F.
What is the InChIKey of 4-(2,3-difluoroanilino)quinoline-3-carbonitrile?
The InChIKey is LTVSWRWDYPBEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N3/c17-12-5-3-7-14(15(12)18)21-16-10(8-19)9-20-13-6-2-1-4-11(13)16/h1-7,9H,(H,20,21).
What are the key properties of 4-(2,3-difluoroanilino)quinoline-3-carbonitrile?
4-(2,3-difluoroanilino)quinoline-3-carbonitrile has a molecular weight of 281.27 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluoroanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 61077022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).